(3R)-1,3-diphenyl-3-(1,2,4-triazol-1-yl)propan-1-one

C17H15N3O — CID 40573311

IUPAC(3R)-1,3-diphenyl-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESO=C(C[C@H](c1ccccc1)n1cncn1)c1ccccc1
InChIInChI=1S/C17H15N3O/c21-17(15-9-5-2-6-10-15)11-16(20-13-18-12-19-20)14-7-3-1-4-8-14/h1-10,12-13,16H,11H2/t16-/m1/s1
InChIKeyNKCCTAZODZIPNN-MRXNPFEDSA-N
MW277.33 g/mol
LogP3.14
Rot. Bonds5

About (3R)-1,3-diphenyl-3-(1,2,4-triazol-1-yl)propan-1-one

(3R)-1,3-diphenyl-3-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 40573311) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is (3R)-1,3-diphenyl-3-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name(3R)-1,3-diphenyl-3-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID40573311
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name(3R)-1,3-diphenyl-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESO=C(C[C@H](c1ccccc1)n1cncn1)c1ccccc1
InChIInChI=1S/C17H15N3O/c21-17(15-9-5-2-6-10-15)11-16(20-13-18-12-19-20)14-7-3-1-4-8-14/h1-10,12-13,16H,11H2/t16-/m1/s1
InChIKeyNKCCTAZODZIPNN-MRXNPFEDSA-N
XLogP3.14
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-diphenyl-3-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of (3R)-1,3-diphenyl-3-(1,2,4-triazol-1-yl)propan-1-one (CID 40573311) is (3R)-1,3-diphenyl-3-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for (3R)-1,3-diphenyl-3-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for (3R)-1,3-diphenyl-3-(1,2,4-triazol-1-yl)propan-1-one is O=C(C[C@H](c1ccccc1)n1cncn1)c1ccccc1.
What is the InChIKey of (3R)-1,3-diphenyl-3-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is NKCCTAZODZIPNN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15N3O/c21-17(15-9-5-2-6-10-15)11-16(20-13-18-12-19-20)14-7-3-1-4-8-14/h1-10,12-13,16H,11H2/t16-/m1/s1.
What are the key properties of (3R)-1,3-diphenyl-3-(1,2,4-triazol-1-yl)propan-1-one?
(3R)-1,3-diphenyl-3-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 277.33 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,3-diphenyl-3-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 40573311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).